CID 135736946

83749-49-9

Structural Information

Molecular Formula
C11H8N4S
SMILES
C1=CC=C(C=C1)N=NC2=CC(=C(S2)N)C#N
InChI
InChI=1S/C11H8N4S/c12-7-8-6-10(16-11(8)13)15-14-9-4-2-1-3-5-9/h1-6H,13H2
InChIKey
UYVCQCSAFDRBKF-UHFFFAOYSA-N
Compound name
2-amino-5-phenyldiazenylthiophene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

228.04697 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.054246 157.6
[M+Na]+ 251.036188 168.6
[M-H]- 227.039694 165.9
[M+NH4]+ 246.080793 176.1
[M+K]+ 267.010128 164.2
[M+H-H2O]+ 211.044230 143.3
[M+HCOO]- 273.045171 179.4
[M+CH3COO]- 287.060821 169.6
[M+Na-2H]- 249.021636 160.5
[M]+ 228.04642142 153.8
[M]- 228.04751858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe